0 B13R2.11634 CC1=C(Br)C=C2C(=C1)NN=C2N 93511 [0,0,0,0,0,0|3,1,0]=4 1 B13R2.11634 CC1=C(Cl)C=C2CCC(=O)C2=C1 F52802 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.11634 CC1=C(Cl)C=C2SN=C(N)C2=C1 50644 [0,0,0,0,0,0|2,1,0]=3 3 B13R2.11634 CC1=C(F)C=C2C(=C1)NN=C2N 90927 [0,0,0,0,0,0|3,1,0]=4 4 B13R2.11634 CC1=C(F)C=C2NN=C(N)C2=C1 AT23572 [0,0,0,0,0,0|3,1,0]=4 5 B13R2.11634 ClC1=CC2=C(C=C1Br)NC=C2I P14750 [0,0,0,0,0,0|3,1,0]=4 6 B13R2.11634 FC1=CC2=C(C=C1F)C(Br)=NN2 I10140 [0,0,0,0,0,0|2,2,0]=4 7 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 N11002 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 N11003 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 N11004 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.11634 N[C@H]1COC2=CC(Cl)=C(F)C=C21 N16636 [0,0,0,0,0,0|2,1,1]=4 11 B13R2.11634 N[C@H]1COC2=CC(Cl)=C(F)C=C21 N16637 [0,0,0,0,0,0|2,1,1]=4 12 B13R2.11634 N[C@H]1COC2=CC(Cl)=C(F)C=C21 N16638 [0,0,0,0,0,0|2,1,1]=4 13 B13R2.11634 N[C@H]1COC2=CC(F)=C(Cl)C=C21 N16639 [0,0,0,0,0,0|2,1,1]=4 14 B13R2.11634 N[C@H]1COC2=CC(F)=C(Cl)C=C21 N16640 [0,0,0,0,0,0|2,1,1]=4 15 B13R2.11634 N[C@H]1COC2=CC(F)=C(Cl)C=C21 N16641 [0,0,0,0,0,0|2,1,1]=4 16 B12R2.100 BrC1=C(I)C=C2NN=CC2=C1 AT21946 [1,0,0,0,0,0|1,2,0]=4 17 B12R2.100 CC1=CC2=C(C=NN2)C=C1N 72745 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.100 FC1=C(Br)C=C2OC=CC2=C1 C91342 [1,0,0,0,0,0|1,2,0]=4 19 B12R2.100 NC1=C(Cl)C=C2N=COC2=C1 F11839 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.100 NC1=C(O)C=C2C=NNC2=C1 F18010 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.100 OC1=C(Cl)C=C2C=NNC2=C1 97038 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.132 BrC1=CC2=C(C=C1)NN=C2Br 25334 [1,0,0,0,0,0|2,1,0]=4 24 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br 71676 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.132 CC1=CC2=C(C=C1)SN=C2N 50632 [1,0,0,0,0,0|2,1,0]=4 26 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 F13807 [1,0,0,0,0,0|2,1,0]=4 27 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 83020 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.132 CC1=NOC2=C1C=C(Cl)C=C2 D78622 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.132 ClC1=CC=C2OC=C(Br)C2=N1 F13547 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.132 IC1=CC2=C(C=C1)NN=C2I F18192 [1,0,0,0,0,0|2,1,0]=4 31 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 97386 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.132 NC1=CC2=C(C=C1)NN=C2O I11429 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.132 NC1=NSC2=C1C=C(I)C=C2 D87688 [1,0,0,0,0,0|1,2,0]=4 34 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 52525 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16514 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16515 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [1,0,0,0,0,0|1,0,1]=3 38 B12R2.132 OB1OCC2=C1C=C(Cl)C=C2 F15587 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.132 OC1=CC2=C(C=C1)ON=C2Cl AT24771 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 97402 [1,0,0,0,0,0|1,1,0]=3 41 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 I10228 [1,0,0,0,0,0|1,1,0]=3 42 B12R2.132 O[C@H]1COC2=C1C=C(Br)C=C2 AT23850 [1,0,0,0,0,0|1,1,1]=4 43 B12R2.612 CC1=CC2=C(C=C1)C(Br)=NN2 P10511 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NN2 C16594 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.612 CC1=CC2=C(C=C1)C(N)=NN2 90926 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.612 CC1=CC2=NN=C(O)N2C=C1 W10566 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [1,0,0,0,0,0|2,1,0]=4 48 B12R2.612 CC1=NSC2=C1C=CC(Br)=C2 E72372 [1,0,0,0,0,0|1,2,0]=4 49 B12R2.612 CC1=NSC2=C1C=CC(N)=C2 E72373 [1,0,0,0,0,0|2,1,0]=4 50 B12R2.612 NC1=CC2=C(C=C1)C(N)=NN2 C16551 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.612 NC1=NNC2=C1C=CC(I)=C2 W13470 [1,0,0,0,0,0|2,1,0]=4 52 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [1,0,0,0,0,0|1,1,1]=4 53 B12R2.612 OC1=NNC2=C1C=CC(Cl)=C2 S10302 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.612 OC1=NSC2=C1C=CC(Cl)=C2 F51296 [1,0,0,0,0,0|0,1,0]=2 55 B12R2.612 O[C@H]1COC2=C1C=CC(Cl)=C2 AT21520 [1,0,0,0,0,0|1,0,1]=3 56 B14R2.12145 N#CC1=NNC2=CC(Cl)=C(Br)C=C21 54742 [0,1,0,0,0,0|2,1,0]=4 57 B14R2.12145 O=CC1=NNC2=CC(Cl)=C(Br)C=C21 54741 [0,1,0,0,0,0|1,1,1]=4 58 B14R2.12145 OCC1=COC2=CC(F)=C(Br)C=C12 93465 [0,1,0,0,0,0|1,2,0]=4 59 B12R1.232 CC(=O)C1=CC(Cl)=C(F)C=C1O P18161 [0,0,1,0,0,0|1,1,1]=4 60 B12R1.232 CC(=O)C1=CC(Cl)=C(O)C=C1O AT18320 [0,0,1,0,0,0|2,0,1]=4 61 B12R1.232 CC1=CC(Cl)=C(Br)C=C1C(=O)O W19669 [0,0,1,0,0,0|2,1,0]=4 62 B12R1.232 CC1=CC(Cl)=C(I)C=C1C(=O)O AT12520 [0,0,1,0,0,0|2,1,0]=4 63 B12R1.232 NC1=C(Cl)C=C(C(=O)O)C(O)=C1 AC5568 [0,0,1,0,0,0|2,0,0]=3 64 B12R1.232 O=C(O)C1=C(I)C=C(Br)C(Cl)=C1 70146 [0,0,1,0,0,0|2,1,0]=4 65 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl F53436 [0,0,1,0,0,0|2,1,0]=4 66 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1O AT11228 [0,0,1,0,0,0|1,2,0]=4 67 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1O AT11227 [0,0,1,0,0,0|1,2,0]=4 68 B12R1.367 C#C[C@@H](O)C1=CC(Cl)=C(Cl)C=C1 AC5835 [0,0,1,0,0,0|2,0,1]=4 69 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 W10715 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.367 CC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 N14421 [0,0,1,0,0,0|2,0,1]=4 71 B12R1.367 NC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 F50725 [0,0,1,0,0,0|2,0,1]=4 72 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(Cl)C=C1 92967 [0,0,1,0,0,0|1,0,0]=2 73 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(F)C=C1 92968 [0,0,1,0,0,0|1,1,0]=3 74 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 AC2976 [0,0,1,0,0,0|1,0,1]=3 75 B12R1.367 O=C(CO)C1=CC(Cl)=C(F)C=C1 AC4023 [0,0,1,0,0,0|1,1,1]=4 76 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 89818 [0,0,1,0,0,0|1,1,1]=4 77 B12R1.448 COC1=CC(C)=C(Cl)C=C1C=O 58374 [0,0,1,0,0,0|2,0,1]=4 78 B12R1.448 COC1=CC(Cl)=C(Cl)C=C1CN N14203 [0,0,1,0,0,0|2,0,1]=4 79 B12R1.448 COC1=CC(F)=C(Cl)C=C1C=O AT16482 [0,0,1,0,0,0|1,1,1]=4 80 B14R2.8239 ClC1=NC2=CC(Cl)=C(Cl)C=C2N=C1 32029 [0,0,0,0,0,1|3,0,0]=4 81 B14R2.8239 FC1=C(Cl)C=C2N=C(Cl)N=CC2=C1 F15788 [0,0,0,0,0,1|2,1,0]=4 82 B14R2.8239 O=C1N=CC2=CC(Br)=C(Cl)C=C2N1 F15815 [0,0,0,0,0,1|1,1,1]=4 83 B14R2.8239 O=C1N=CC2=CC(F)=C(Cl)C=C2N1 F15817 [0,0,0,0,0,1|1,1,1]=4 84 B14R2.28472 CC1=C(Cl)C=C2N=CN=C(Cl)C2=C1 82065 [0,0,0,0,0,1|3,0,0]=4 85 B14R2.28472 ClC1=CC2=NC=NC(Cl)=C2C=C1Br 53878 [0,0,0,0,0,1|2,1,0]=4 86 B14R2.28472 ClC1=NC=NC2=CC(Cl)=C(Cl)C=C21 82059 [0,0,0,0,0,1|2,0,0]=3 87 B14R2.28472 FC1=C(Cl)C=C2C=NC=C(Br)C2=C1 97670 [0,0,0,0,0,1|2,1,0]=4 88 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 D71431 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [1,0,1,0,0,0|1,1,0]=4 90 B11R1.277 COC1=CC(Cl)=C(Cl)C=C1N F10963 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.277 O=CC1=CC(Cl)=C(F)C=C1O 97451 [1,0,1,0,0,0|0,1,1]=4 92 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [1,0,1,0,0,0|1,0,1]=4 94 B11R1.23 N\C(=N/O)C1=CC=CC(Cl)=N1 93027 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.23 O\N=C(/Cl)C1=CC=CC(Cl)=C1 65906 [1,0,1,0,0,0|1,0,0]=3 96 B11R1.192 O=CCC1=CC(Cl)=C(Cl)C=C1 25894 [1,0,1,0,0,0|1,0,1]=4 97 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [2,0,0,0,0,0|1,0,0]=3 98 B11R2.36 ClC1=CC2=CN=CN2C=C1 W13685 [2,0,0,0,0,0|2,0,0]=4 99 B11R2.36 SC1=CC2=C(C=C1)NN=C2 F18088 [2,0,0,0,0,0|2,0,0]=4 100 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [2,0,0,0,0,0|2,0,0]=4 101 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [2,0,0,0,0,0|1,1,0]=4 102 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [2,0,0,0,0,0|1,1,0]=4 103 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [2,0,0,0,0,0|1,0,1]=4 105 B13R1.1807 COC(=O)C1=CC(Cl)=C(C)C=C1O AT11635 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.2398 COC1=CC(F)=C(Cl)C=C1C(=O)O AT12549 [0,1,1,0,0,0|1,1,0]=4 107 B13R1.3088 COC1=C(Cl)C=C(\C(N)=N/O)C=C1 92966 [0,1,1,0,0,0|2,0,0]=4 108 B13R2.4899 FC1=CC2=C(C=NN2)C(Br)=C1Cl P20778 [1,1,0,0,0,0|1,1,0]=4 109 B13R2.13083 ClC1=CC2=C(C=C1Cl)NC(Br)=C2 P16871 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.13083 O=C1NC2=CC(Cl)=C(Cl)C=C2O1 D73331 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.669 CC1=NOC2=C1C=C(C#N)C=C2 F13597 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.669 CC1=NOC2=C1C=C(C=O)C=C2 P20554 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.669 CC1=NOC2=C1C=C(CN)C=C2 F14012 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.669 COC1=CC2=C(C=C1)ON=C2Cl AT10780 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.2136 OCC1=COC2=C1C=C(Br)C=C2 93449 [1,1,0,0,0,0|1,1,0]=4 116 B13R2.3742 O=C1COC2=C(Cl)C=C(Cl)C=C12 N12892 [1,1,0,0,0,0|1,0,1]=4 117 B13R2.662 N#CC1=NNC2=C1C=CC(Cl)=C2 C90347 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.662 O=CC1=NOC2=C1C=CC(Br)=C2 93320 [1,1,0,0,0,0|0,1,1]=4 119 B13R2.662 O=CC1=NOC2=C1C=CC(Cl)=C2 93318 [1,1,0,0,0,0|0,0,1]=3 120 B13R2.662 OCC1=NOC2=C1C=CC(Br)=C2 93319 [1,1,0,0,0,0|0,1,0]=3 121 B13R2.2130 COC1=CC2=C(C=C1)C(Cl)=NO2 AT10781 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.2130 COC1=CC2=C(C=C1)C(O)=NN2 20043 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.11642 CC1=NOC2=CC(Br)=CC(O)=C21 93707 [1,1,0,0,0,0|1,1,0]=4 124 B15R2.8200 O=C(O)C1=NNC2=CC(Cl)=C(Br)C=C21 P14480 [0,2,0,0,0,0|1,1,0]=4 125 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=N1 AC5052 [1,0,0,0,0,1|2,0,0]=4 126 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [1,0,0,0,0,1|1,0,1]=4 127 B13R2.155 O=C1N=CC2=C(C=C(Cl)C=C2)N1 F15805 [1,0,0,0,0,1|1,0,1]=4 128 B13R2.162 OC1=C2C=C(F)C=CC2=NN=C1 AC7050 [1,0,0,0,0,1|1,1,0]=4 129 B13R2.162 OC1=C2N=C(Cl)C=CC2=NC=N1 F30758 [1,0,0,0,0,1|2,0,0]=4 130 B13R2.162 O[C@H]1CCOC2=C1C=C(Cl)C=C2 N14456 [1,0,0,0,0,1|1,0,1]=4 131 B13R2.3683 CC1=NC=C2C=C(Cl)C=CC2=N1 91919 [1,0,0,0,0,1|2,0,0]=4 132 B13R2.3683 NC1=NN=C2C=C(Cl)C=CC2=N1 C75546 [1,0,0,0,0,1|2,0,0]=4 133 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [1,0,0,0,0,1|1,0,1]=4 134 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [1,0,0,0,0,1|2,0,0]=4 135 B13R2.5179 OC1=C2C=CC(Cl)=NC2=NC=N1 F30746 [1,0,0,0,0,1|2,0,0]=4 136 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=N1 81072 [1,0,0,0,0,1|1,1,0]=4 137 B13R2.5179 OC1=C2C=CC(F)=CC2=NC=N1 AC3204 [1,0,0,0,0,1|1,1,0]=4